2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine

C15H24N6 — CID 114690885

IUPAC2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(C)C)nc(-c2cnnn2C)c1C
InChIInChI=1S/C15H24N6/c1-7-8-16-13-10(2)12(11-9-17-20-21(11)6)18-14(19-13)15(3,4)5/h9H,7-8H2,1-6H3,(H,16,18,19)
InChIKeyOBKMZXBHJQARCL-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.70
Rot. Bonds4

About 2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine

2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine (PubChem CID 114690885) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine
PubChem CID114690885
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)(C)C)nc(-c2cnnn2C)c1C
InChIInChI=1S/C15H24N6/c1-7-8-16-13-10(2)12(11-9-17-20-21(11)6)18-14(19-13)15(3,4)5/h9H,7-8H2,1-6H3,(H,16,18,19)
InChIKeyOBKMZXBHJQARCL-UHFFFAOYSA-N
XLogP2.70
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine (CID 114690885) is 2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)(C)C)nc(-c2cnnn2C)c1C.
What is the InChIKey of 2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine?
The InChIKey is OBKMZXBHJQARCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-7-8-16-13-10(2)12(11-9-17-20-21(11)6)18-14(19-13)15(3,4)5/h9H,7-8H2,1-6H3,(H,16,18,19).
What are the key properties of 2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine?
2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine has a molecular weight of 288.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 114690885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).